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{
"id": "jvasp-40373",
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{
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{
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{
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"structure_string": "Hf1 B2\n1.0\n1.569820 -2.719007 -0.000000\n1.569820 2.719007 -0.000000\n-0.000000 0.000000 3.503634\nHf B\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.499999 B\n0.666667 0.333333 0.499999 B\n",
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{
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"structure_string": "Hf1 B2\n1.0\n1.569820 -2.719007 0.000000\n1.569820 2.719007 0.000000\n0.000000 0.000000 3.503634\nHf B\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.499999 B\n0.666667 0.333333 0.499999 B\n",
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{
"id": "jvasp-44393",
"created_at": "2022-09-04T14:38:30.793809Z",
"updated_at": "2022-09-04T14:38:30.793834Z",
"structure_string": "Li4 Ni6 Sb2 O16\n1.0\n2.910403 -5.040967 -0.000000\n2.910403 5.040967 -0.000000\n-0.000000 0.000000 9.513782\nLi Ni Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.096211 Li\n0.000000 0.000000 0.010021 Li\n0.000000 0.000000 0.510021 Li\n0.333332 0.666667 0.596211 Li\n0.163628 0.338426 0.285504 Ni\n0.174798 0.836372 0.285504 Ni\n0.661573 0.825201 0.285504 Ni\n0.825201 0.661573 0.785504 Ni\n0.338426 0.163628 0.785504 Ni\n0.836372 0.174798 0.785504 Ni\n0.666667 0.333332 0.511909 Sb\n0.333332 0.666667 0.011909 Sb\n0.178727 0.855828 0.906792 O\n0.144171 0.322898 0.906792 O\n0.333332 0.666667 0.379860 O\n0.510825 0.969916 0.156927 O\n0.030083 0.540910 0.156927 O\n0.855828 0.178727 0.406792 O\n0.969916 0.510825 0.656927 O\n0.489173 0.459089 0.656927 O\n0.821272 0.677100 0.406792 O\n0.000000 0.000000 0.200430 O\n0.000000 0.000000 0.700430 O\n0.666667 0.333332 0.879860 O\n0.459089 0.489173 0.156927 O\n0.322898 0.144171 0.406792 O\n0.540910 0.030083 0.656927 O\n0.677100 0.821272 0.906792 O\n",
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"formula_full": "Li4 Ni6 Sb2 O16",
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{
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"created_at": "2022-09-04T14:37:04.165654Z",
"updated_at": "2022-09-04T14:37:04.165684Z",
"structure_string": "Sc4 H4 O8\n1.0\n3.223123 -0.000000 0.000000\n0.000000 4.784888 0.000000\n0.000000 0.000000 10.343541\nSc H O\n4 4 8\ndirect\n0.250000 0.429776 0.355704 Sc\n0.250000 0.070224 0.855704 Sc\n0.749999 0.570225 0.644296 Sc\n0.749999 0.929776 0.144296 Sc\n0.250000 0.109816 0.591542 H\n0.250000 0.390185 0.091542 H\n0.749999 0.890185 0.408457 H\n0.749999 0.609816 0.908457 H\n0.250000 0.816329 0.694148 O\n0.250000 0.683672 0.194148 O\n0.749999 0.183671 0.305852 O\n0.749999 0.316329 0.805852 O\n0.250000 0.307003 0.559170 O\n0.250000 0.192998 0.059170 O\n0.749999 0.692998 0.440830 O\n0.749999 0.807003 0.940830 O\n",
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"volume": 159.52101202697963,
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{
"id": "jvasp-104988",
"created_at": "2022-09-04T14:37:00.018303Z",
"updated_at": "2022-09-04T14:37:00.018326Z",
"structure_string": "Ni1 O2\n1.0\n2.577140 -0.081295 3.853584\n1.109509 2.327499 3.853584\n-0.133428 -0.081295 4.634000\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.260887 0.260886 0.260887 O\n0.739114 0.739111 0.739114 O\n",
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},
{
"id": "jvasp-44478",
"created_at": "2022-09-04T14:36:50.954509Z",
"updated_at": "2022-09-04T14:36:50.954526Z",
"structure_string": "Li4 Mn6 Sn2 O16\n1.0\n5.760442 0.000070 0.000594\n-2.880159 4.988583 -0.001188\n-0.001033 0.001790 9.715216\nLi Mn Sn O\n4 6 2 16\ndirect\n0.333307 0.666651 0.897913 Li\n0.999943 -0.000010 0.994328 Li\n0.000057 0.000047 0.494328 Li\n0.666693 0.333345 0.397912 Li\n0.830096 0.660219 0.714960 Mn\n0.339791 0.169903 0.714973 Mn\n0.830101 0.169899 0.714968 Mn\n0.169899 0.339797 0.214968 Mn\n0.169904 0.830124 0.214960 Mn\n0.660208 0.830112 0.214973 Mn\n0.333341 0.666686 0.491782 Sn\n0.666659 0.333346 0.991782 Sn\n0.313303 0.156667 0.102562 O\n0.843325 0.686678 0.102579 O\n0.666660 0.333334 0.608041 O\n0.514606 0.029210 0.832676 O\n0.514599 0.485412 0.832668 O\n0.686697 0.843364 0.602562 O\n0.485394 0.514605 0.332676 O\n0.029212 0.514618 0.332672 O\n0.156676 0.313355 0.602582 O\n-0.000011 -0.000003 0.811215 O\n0.000011 0.000008 0.311215 O\n0.333340 0.666675 0.108041 O\n0.970787 0.485405 0.832671 O\n0.156674 0.843351 0.602579 O\n0.485401 0.970813 0.332667 O\n0.843324 0.156679 0.102582 O\n",
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{
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"created_at": "2022-09-04T14:36:04.288089Z",
"updated_at": "2022-09-04T14:36:04.288107Z",
"structure_string": "H2 Se1\n1.0\n3.017568 -0.000000 1.742194\n1.005856 2.844990 1.742194\n0.000000 0.000000 3.484387\nH Se\n2 1\ndirect\n0.750002 0.750000 0.749998 H\n0.250001 0.250000 0.249999 H\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
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{
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"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.628831 0.000000 0.000000\n0.000000 8.436481 -1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 O\n0.984903 0.338473 0.818582 O\n0.017944 0.312164 0.312325 O\n",
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}